| CAS Number | 1354950-14-3 |
| Catalog Number | AG019RVC |
| Chemical Name | 3-amino-1-[4-(difluoromethoxy)phenyl]piperidin-2-one |
| IUPAC Name | 3-amino-1-[4-(difluoromethoxy)phenyl]piperidin-2-one |
| InChI | InChI=1S/C12H14F2N2O2/c13-12(14)18-9-5-3-8(4-6-9)16-7-1-2-10(15)11(16)17/h3-6,10,12H,1-2,7,15H2 |
| InChI Key | NQNUYIFAYFLLID-UHFFFAOYSA-N |
| MDL Number | MFCD19434952 |
| Molecular Formula | C12H14F2N2O2 |
| Molecular Weight | 256.2486 |
| SMILES | NC1C(=O)N(C2=CC=C(OC(F)F)C=C2)CCC1 |
| Synonyms | 3-amino-1-[4-(difluoromethoxy)phenyl]piperidin-2-one,
1354950-14-3,
AKOS013558485,
MCULE-1563721266,
NE16509,
EN300-90606,
Z1263544985,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.253g/mol |
| Monoisotopic Mass | 256.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number